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Mol:FL5FACGL0073 - Revision history
2026-05-17T23:13:51Z
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Copyright: ARM project http://www.metabolome.jp/<br />
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61 62 1 0 0 0 0<br />
35 63 1 0 0 0 0<br />
63 64 1 0 0 0 0<br />
57 65 1 0 0 0 0<br />
65 66 1 0 0 0 0<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 65 66<br />
M SBL 3 1 71<br />
M SMT 3 CH2OH<br />
M SVB 3 71 -4.0617 3.3532<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 63 64<br />
M SBL 2 1 69<br />
M SMT 2 CH2OH<br />
M SVB 2 69 1.0954 -3.8624<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 61 62<br />
M SBL 1 1 67<br />
M SMT 1 CH2OH<br />
M SVB 1 67 -1.225 -1.1093<br />
S SKP 8<br />
ID FL5FACGL0073<br />
KNApSAcK_ID C00005995<br />
NAME Quercetin 3-p-coumarylsophoroside-7-glucoside<br />
CAS_RN 162556-36-7<br />
FORMULA C42H46O24<br />
EXACTMASS 934.2379024<br />
AVERAGEMASS 934.8002399999999<br />
SMILES O=C(c64)C(=C(c(c7)ccc(O)c(O)7)Oc(cc(cc6O)O[C@@H](O5)C(C([C@H](O)[C@@H]5CO)O)O)4)O[C@@H]([C@H]1O[C@@H](C(OC(C=Cc(c3)ccc(c3)O)=O)2)O[C@@H]([C@H](O)C2O)CO)OC([C@@H]([C@@H]1O)O)CO<br />
M END<br />
</pre></div>
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